4-(1-Oxido-1,2,4-benzotriazin-1-ium-3-yl)piperazin-2-one
TL;DR: 4-(1-Oxido-1,2,4-benzotriazin-1-ium-3-yl)piperazin-2-one (CAS 118632-48-7) is a chemical compound with molecular formula C11H11N5O2 and molecular weight 245.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(1-oxido-1,2,4-benzotriazin-1-ium-3-yl)piperazin-2-one
Also Known As: 4-(1-oxido-1,2,4-benzotriazin-3-yl)piperazin-2-one, 4-(1-oxy-benzo[1,2,4]triazin-3-yl)-piperazin-2-one, 4-(1-oxido-1,2,4-benzotriazin-1-ium-3-yl)piperazin-2-one
| Molecular Formula | C11H11N5O2 |
|---|---|
| Molecular Weight | 245.09 g/mol |
| LogP | -0.2 |
| Topological Polar Surface Area | 83.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 245.09128 |
| Heavy Atoms | 18 |
| Complexity | 327.0 |
Chemical Identifiers
| CAS Number | 118632-48-7 |
|---|---|
| SMILES | C1CN(CC(=O)N1)C2=NC3=CC=CC=C3[N+](=N2)[O-] |
| InChIKey | ITDCFWOAUWQGGQ-UHFFFAOYSA-N |
Product Overview
4-(1-Oxido-1,2,4-benzotriazin-1-ium-3-yl)piperazin-2-one (CAS 118632-48-7), with molecular formula C11H11N5O2 and molecular weight 245.09 g/mol. IUPAC: 4-(1-oxido-1,2,4-benzotriazin-1-ium-3-yl)piperazin-2-one.
Chemical Property Profile of 4-(1-Oxido-1,2,4-benzotriazin-1-ium-3-yl)piperazin-2-one
Property Insights of 4-(1-Oxido-1,2,4-benzotriazin-1-ium-3-yl)piperazin-2-one
The XLogP value of -0.2 indicates that 4-(1-Oxido-1,2,4-benzotriazin-1-ium-3-yl)piperazin-2-one is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 83.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(1-Oxido-1,2,4-benzotriazin-1-ium-3-yl)piperazin-2-one. Following Lipinski's Rule of Five, 4-(1-Oxido-1,2,4-benzotriazin-1-ium-3-yl)piperazin-2-one has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4-(1-Oxido-1,2,4-benzotriazin-1-ium-3-yl)piperazin-2-one?
The CAS number of 4-(1-Oxido-1,2,4-benzotriazin-1-ium-3-yl)piperazin-2-one is 118632-48-7.
What is the molecular formula of 4-(1-Oxido-1,2,4-benzotriazin-1-ium-3-yl)piperazin-2-one?
The molecular formula of 4-(1-Oxido-1,2,4-benzotriazin-1-ium-3-yl)piperazin-2-one is C11H11N5O2.
What is the molecular weight of 4-(1-Oxido-1,2,4-benzotriazin-1-ium-3-yl)piperazin-2-one?
The molecular weight of 4-(1-Oxido-1,2,4-benzotriazin-1-ium-3-yl)piperazin-2-one is 245.09 g/mol.
Where can I buy 4-(1-Oxido-1,2,4-benzotriazin-1-ium-3-yl)piperazin-2-one?
You can request a quote for 4-(1-Oxido-1,2,4-benzotriazin-1-ium-3-yl)piperazin-2-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(1-Oxido-1,2,4-benzotriazin-1-ium-3-yl)piperazin-2-one?
Yes, KEHONG BIO provides custom synthesis services for 4-(1-Oxido-1,2,4-benzotriazin-1-ium-3-yl)piperazin-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.